triazete-4-carbaldehyde

C2HN3O — CID 142772799

IUPACtriazete-4-carbaldehyde
SMILESO=CC1=NN=N1
InChIInChI=1S/C2HN3O/c6-1-2-3-5-4-2/h1H
InChIKeyKYXDOLAUZBIMRL-UHFFFAOYSA-N
MW83.05 g/mol
LogP-0.04
Rot. Bonds1

About triazete-4-carbaldehyde

triazete-4-carbaldehyde (PubChem CID 142772799) has the molecular formula C2HN3O and a molecular weight of 83.05 g/mol. Its IUPAC name is triazete-4-carbaldehyde.

Molecular Properties

Compound Nametriazete-4-carbaldehyde
PubChem CID142772799
Molecular FormulaC2HN3O
Molecular Weight83.05 g/mol
Exact Mass83.01
IUPAC Nametriazete-4-carbaldehyde
SMILESO=CC1=NN=N1
InChIInChI=1S/C2HN3O/c6-1-2-3-5-4-2/h1H
InChIKeyKYXDOLAUZBIMRL-UHFFFAOYSA-N
XLogP-0.04
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.05
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triazete-4-carbaldehyde?
The IUPAC name of triazete-4-carbaldehyde (CID 142772799) is triazete-4-carbaldehyde.
What is the SMILES notation for triazete-4-carbaldehyde?
The canonical SMILES for triazete-4-carbaldehyde is O=CC1=NN=N1.
What is the InChIKey of triazete-4-carbaldehyde?
The InChIKey is KYXDOLAUZBIMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HN3O/c6-1-2-3-5-4-2/h1H.
What are the key properties of triazete-4-carbaldehyde?
triazete-4-carbaldehyde has a molecular weight of 83.05 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazete-4-carbaldehyde is sourced from PubChem (CID 142772799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).